SCHEMBL9314396

SCHEMBL9314396

CC1(C)CC(=O)Nc2cc(NC(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.54
RARG P13631 3/20 0.54
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP26A1 O43174 3/20 0.40
CYP3A4 P08684 2/20 0.40
RARA P10276 2/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 1/20 0.40
BLVRB P30043 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31714495 0.89 HDAC3 (0.52) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL3150642 0.89 HDAC3 (0.52) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9313849 0.85 HDAC3 (0.49) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9314264 0.84 MEN1 (0.53) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9312256 0.82 RARB (0.51) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9313154 0.81 TNKS (0.50) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9866488 0.81 TNKS (0.52) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9313377 0.81 MAPT (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9313383 0.81 MAPT (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9865756 0.80 MEN1 (0.55) RARBRARGHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed